SCHEMBL456828

SCHEMBL456828

COCc1c(F)c(F)c(CC2(C(=O)O)C(C=C(C)C#N)C2(C)C)c(F)c1F

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12078797 1.00
SCHEMBL587984 1.00
SCHEMBL12078401 1.00
SCHEMBL30674783 0.90
SCHEMBL2058861 0.89 IMPDH2 (0.31)
SCHEMBL2578676 0.89
SCHEMBL2576309 0.88 MEN1 (0.31)
SCHEMBL2577348 0.88 MEN1 (0.31)
SCHEMBL14720942 0.88
SCHEMBL2058740 0.87 MEN1 (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130602-A1 PESTICIDAL COMPOSITION AND METHOD FOR CONTROLLING HARMFUL INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-27 US claimed
CN-117412966-A Condensed pyridines for combating invertebrate pests FMC公司 2024-01-16 CN disclosed
CN-116133524-A Triazolone compounds for controlling invertebrate pests FMC公司 2023-05-16 CN disclosed
US-9668482-B1 Fused heterocyclic compound and pest control application thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-06 US disclosed
US-8263628-B2 Fluorine-containing organosulfur compound and pesticidal composition thereof SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2012-09-11 US disclosed
EP-2139336-A2 PESTICIDAL AEROSOL COMPOSITION Sumitomo Chemical Company, Limited (JP) 2010-01-06 EP disclosed
WO-2008123564-A3 PESTICIDAL AEROSOL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-17 WO disclosed
WO-2008123573-A3 PESTICIDAL AEROSOL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-11 WO disclosed
WO-2008123573-A2 PESTICIDAL AEROSOL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-16 WO disclosed
WO-2008123564-A2 PESTICIDAL AEROSOL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-16 WO disclosed